SCHEMBL19255167

SCHEMBL19255167

CNC/C=C(\F)Cn1c(C)c(-c2ccc3c(c2)OCO3)c2cc(SC)ccc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 9/20 0.39
▸ EDNRB P24530 8/20 0.39
▸ GNRHR P30968 1/20 0.37
▸ PDE5A O76074 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LOXL2 Q9Y4K0 7/20 0.36
▸ DAO P14920 2/20 0.36
▸ AOC3 Q16853 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19255048 0.85 LOXL2 (0.42) LOXL2DAOAOC3
SCHEMBL19255166 0.82 LOXL2 (0.39) LOXL2DAOAOC3
SCHEMBL19255571 0.82 LOXL2 (0.37) LOXL2DAOAOC3
SCHEMBL19255398 0.80 LOXL2 (0.38) LOXL2DAOAOC3
SCHEMBL19255718 0.74 LOXL2 (0.45) LOXL2DAOAOC3
SCHEMBL19255442 0.73 LOXL2 (0.65) LOXL2DAOAOC3
Hydrochloric Acid SCHEMBL20699534 0.73 LOXL2 (0.66) LOXL2DAOAOC3
SCHEMBL19255400 0.70 LOXL2 (0.52) LOXL2DAOAOC3
SCHEMBL19255163 0.69 LOXL2 (0.54) LOXL2
SCHEMBL19255067 0.69 LOXL2 (0.55) LOXL2DAOAOC3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017136870-A9 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2018-02-15 — — WO disclosed
WO-2017136870-A1 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2017-08-17 — — WO disclosed
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